4-methyl-2-(2-nitro-5-piperidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-methyl-2-(2-nitro-5-piperidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-methyl-2-[2-nitro-5-(1-piperidyl)phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-(1-piperidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-(2-nitro-5-piperidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-methyl-2-(2-nitro-5-piperidino-phenyl)phthalazin-1-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-14-16-7-3-4-8-17(16)20(25)23(21-14)19-13-15(9-10-18(19)24(26)27)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3